Dear all,
I am working on a multidomain structure in P31 with two
copies in the asymmetric unit and pseudo-P3121 symmetry - the NCS is a
twofold relating most of copy A to copy B but one domain violates the
higher symmetry. I have placed all the NCS-obeying domains of A and B,
plus copy A of the NCS-violating domain, and am looking for the second
copy of the latter using molecular replacement. I am using all the
programs I know of including Molrep.
Now, the Molrep binary I downloaded from
http://www.ysbl.york.ac.uk/YSBLPrograms/index.jsp is far too clever: it
autodetects the NCS-twofold in the self rotation function and switches
the NCS on - which is not what I want:
INFO: Relations between peaks see in molrep.doc
NCS_model (from Model Self rotation Function): 1
Program will use NCS =: 1
Does anyone know how to turn this off?
Thanks!
Pietro
--
Pietro Roversi
Sir William Dunn School of Pathology, Oxford University
South Parks Road, Oxford OX1 3ER, England UK
Tel. 0044-1865-275385
